SCHEMBL4827428

SCHEMBL4827428

C[C@@H](O)CNC(=O)[C@@H]1CCCC[C@@H]1N

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
MMP8 P22894 2/20 0.38
MMP1 P03956 1/20 0.38
CTSC P53634 5/20 0.36
KCNH2 Q12809 2/20 0.36
EPHX1 P07099 1/20 0.36
CACNA1G O43497 4/20 0.36
CACNA1H O95180 4/20 0.36
CTSB P07858 2/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
CACNA1B Q00975 1/20 0.36
MMP2 P08253 1/20 0.33
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4827414 0.83 TAAR1 (0.47) TAAR1MMP8MMP1EPHX1CTSB
SCHEMBL4818920 0.80 TAAR1 (0.36) TAAR1CTSCKCNH2CACNA1GCACNA1H
SCHEMBL8298293 0.77 CACNA1G (0.39) TAAR1CTSCKCNH2CACNA1GCACNA1H
SCHEMBL172091 0.77 CTSC (0.42) CTSCKCNH2EPHX1
SCHEMBL15601036 0.77 MC4R (0.35) TAAR1MMP8MMP1
SCHEMBL2061687 0.76 GRM4 (0.45) MMP8MMP1CTSCKCNH2EPHX1
SCHEMBL2061690 0.76 GRM4 (0.45) MMP8MMP1CTSCKCNH2EPHX1
SCHEMBL2061686 0.76 GRM4 (0.45) MMP8MMP1CTSCKCNH2EPHX1
SCHEMBL4826158 0.76 CTSB (0.37) CTSCKCNH2EPHX1CACNA1GCACNA1H
SCHEMBL22778763 0.75 TAAR1 (0.31) TAAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 US claimed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 US claimed
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 US disclosed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070032484-A1 Cathepsin K inhibitors CTSK, CTSS, CTSF TAAR1 2307/4885MMP8 250/4885MMP1 134/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.